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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

2-(4,5-Dichloro-2-nitrophenyl)acetic acid

OC(=O)Cc1cc(Cl)c(cc1[N+](=O)[O-])Cl Request for Quotation
Chemical Name: 2-(4,5-Dichloro-2-nitrophenyl)acetic acid
CAS Number: 37777-90-5
Product Number: AG00C719(AGN-PC-0WAWAE)
Synonyms:
MDL No: MFCD07366549
Molecular Formula: C8H5Cl2NO4
Molecular Weight: 250.0356

Identification/Properties

Properties
MP:
127-130℃
BP:
388°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
250.031g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
248.96g/mol
Monoisotopic Mass:
248.96g/mol
Topological Polar Surface Area:
83.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
268
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


2-(4,5-Dichloro-2-nitrophenyl)acetic acid is a versatile compound used in chemical synthesis for its unique properties and reactivity. This compound is commonly employed as a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and organic compounds. Its distinctive structure, characterized by the presence of both nitro and chloro substituents on the phenyl ring, imparts specific chemical reactivity that is crucial for the formation of complex molecular structures. In organic synthesis, 2-(4,5-Dichloro-2-nitrophenyl)acetic acid serves as a valuable building block for creating diverse compounds with tailored properties and functionalities. Its ability to undergo various chemical transformations, such as nucleophilic substitutions, condensation reactions, and cyclizations, makes it a valuable tool for synthesizing intricate organic molecules with enhanced bioactivity or material properties. By harnessing the unique reactivity of 2-(4,5-Dichloro-2-nitrophenyl)acetic acid, chemists can access a wide array of synthetic pathways to develop new compounds for applications in pharmaceuticals, agriculture, and materials science.